2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide

C15H20N4O2 — CID 110196544

IUPAC2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3ccnn3C)CCC=C12
InChIInChI=1S/C15H20N4O2/c1-18-12-4-3-7-15(12,8-5-13(18)20)10-16-14(21)11-6-9-17-19(11)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,21)
InChIKeyOYUBXKNADDOCDP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.07
Rot. Bonds3

About 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide

2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110196544) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide
PubChem CID110196544
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3ccnn3C)CCC=C12
InChIInChI=1S/C15H20N4O2/c1-18-12-4-3-7-15(12,8-5-13(18)20)10-16-14(21)11-6-9-17-19(11)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,21)
InChIKeyOYUBXKNADDOCDP-UHFFFAOYSA-N
XLogP1.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide (CID 110196544) is 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide is CN1C(=O)CCC2(CNC(=O)c3ccnn3C)CCC=C12.
What is the InChIKey of 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is OYUBXKNADDOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-12-4-3-7-15(12,8-5-13(18)20)10-16-14(21)11-6-9-17-19(11)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,21).
What are the key properties of 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide?
2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110196544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).